RZRHGRUBARHJQR-JWQCQUIFSA-N

Name: RZRHGRUBARHJQR-JWQCQUIFSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₈H₃₅F₃N₄O₂ — CID 142418867

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC(2R)-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]piperidin-1-yl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid

SMILESO=C(O)[C@@H](c1ccc(C(F)(F)F)cc1)N1CC[C@@H](N2CCC(CCc3ccc4c(n3)NCCC4)CC2)C1

InChIInChI=1S/C28H35F3N4O2/c29-28(30,31)22-7-4-20(5-8-22)25(27(36)37)35-17-13-24(18-35)34-15-11-19(12-16-34)3-9-23-10-6-21-2-1-14-32-26(21)33-23/h4-8,10,19,24-25H,1-3,9,11-18H2,(H,32,33)(H,36,37)/t24-,25-/m1/s1

InChIKeyRZRHGRUBARHJQR-JWQCQUIFSA-N

MW516.61 g/mol

LogP5.00

Rot. Bonds7

About RZRHGRUBARHJQR-JWQCQUIFSA-N

RZRHGRUBARHJQR-JWQCQUIFSA-N (PubChem CID 142418867) has the molecular formula C₂₈H₃₅F₃N₄O₂ and a molecular weight of 516.61 g/mol. Its IUPAC name is (2R)-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]piperidin-1-yl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid.

Molecular Properties

Compound Name	RZRHGRUBARHJQR-JWQCQUIFSA-N
PubChem CID	142418867
Molecular Formula	C₂₈H₃₅F₃N₄O₂
Molecular Weight	516.61 g/mol
Exact Mass	516.27
IUPAC Name	(2R)-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]piperidin-1-yl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid
SMILES	O=C(O)[C@@H](c1ccc(C(F)(F)F)cc1)N1CC[C@@H](N2CCC(CCc3ccc4c(n3)NCCC4)CC2)C1
InChI	InChI=1S/C28H35F3N4O2/c29-28(30,31)22-7-4-20(5-8-22)25(27(36)37)35-17-13-24(18-35)34-15-11-19(12-16-34)3-9-23-10-6-21-2-1-14-32-26(21)33-23/h4-8,10,19,24-25H,1-3,9,11-18H2,(H,32,33)(H,36,37)/t24-,25-/m1/s1
InChIKey	RZRHGRUBARHJQR-JWQCQUIFSA-N
XLogP	5.00
TPSA	68.70 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	7
Heavy Atoms	37
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.61
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of RZRHGRUBARHJQR-JWQCQUIFSA-N?

The IUPAC name of RZRHGRUBARHJQR-JWQCQUIFSA-N (CID 142418867) is (2R)-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]piperidin-1-yl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid.

What is the SMILES notation for RZRHGRUBARHJQR-JWQCQUIFSA-N?

The canonical SMILES for RZRHGRUBARHJQR-JWQCQUIFSA-N is O=C(O)[C@@H](c1ccc(C(F)(F)F)cc1)N1CC[C@@H](N2CCC(CCc3ccc4c(n3)NCCC4)CC2)C1.

What is the InChIKey of RZRHGRUBARHJQR-JWQCQUIFSA-N?

The InChIKey is RZRHGRUBARHJQR-JWQCQUIFSA-N. The full InChI is InChI=1S/C28H35F3N4O2/c29-28(30,31)22-7-4-20(5-8-22)25(27(36)37)35-17-13-24(18-35)34-15-11-19(12-16-34)3-9-23-10-6-21-2-1-14-32-26(21)33-23/h4-8,10,19,24-25H,1-3,9,11-18H2,(H,32,33)(H,36,37)/t24-,25-/m1/s1.

What are the key properties of RZRHGRUBARHJQR-JWQCQUIFSA-N?

RZRHGRUBARHJQR-JWQCQUIFSA-N has a molecular weight of 516.61 g/mol, XLogP of 5.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for RZRHGRUBARHJQR-JWQCQUIFSA-N is sourced from PubChem (CID 142418867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 142418867 — identifiers, structure, computed properties (public domain)

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